2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol

C14H10N6O — CID 136987137

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol
SMILESOc1cc(-c2nn[nH]n2)ccc1-c1c[nH]c2ncccc12
InChIInChI=1S/C14H10N6O/c21-12-6-8(13-17-19-20-18-13)3-4-9(12)11-7-16-14-10(11)2-1-5-15-14/h1-7,21H,(H,15,16)(H,17,18,19,20)
InChIKeyIMTQOWKAHMCFNN-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.12
Rot. Bonds2

About 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol

2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol (PubChem CID 136987137) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol
PubChem CID136987137
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol
SMILESOc1cc(-c2nn[nH]n2)ccc1-c1c[nH]c2ncccc12
InChIInChI=1S/C14H10N6O/c21-12-6-8(13-17-19-20-18-13)3-4-9(12)11-7-16-14-10(11)2-1-5-15-14/h1-7,21H,(H,15,16)(H,17,18,19,20)
InChIKeyIMTQOWKAHMCFNN-UHFFFAOYSA-N
XLogP2.12
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 90844902
4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
CID 22160545
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
2-amino-4-(2H-tetrazol-5-yl)phenol
CID 135648881
2-bromo-4-(2H-tetrazol-5-yl)phenol
CID 135859940
N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide
CID 167805727
3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)furan-2-yl]propanoic acid
CID 167219249
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087195
3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138674165
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
CID 58087868

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol (CID 136987137) is 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol is Oc1cc(-c2nn[nH]n2)ccc1-c1c[nH]c2ncccc12.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol?
The InChIKey is IMTQOWKAHMCFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c21-12-6-8(13-17-19-20-18-13)3-4-9(12)11-7-16-14-10(11)2-1-5-15-14/h1-7,21H,(H,15,16)(H,17,18,19,20).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol?
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol has a molecular weight of 278.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 136987137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).